Geometry & MOs

Info

ID:	158081
PubChem CID:	56462791
Reduced:	FS2O3N4H15C19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	475.237211
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	4.74
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3,5-dimethyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=CC(=C(C=C21)S(=O)(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4)F

DOS

IR

Vibrations